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3172-56-3,MFCD00041214
Catalog No.:AA003I9T

3172-56-3 | 3,3'-Bithiophene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
96%
in stock  
$11.00   $8.00
- +
1g
96%
in stock  
$16.00   $11.00
- +
5g
96%
in stock  
$77.00   $54.00
- +
25g
96%
in stock  
$384.00   $269.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003I9T
Chemical Name:
3,3'-Bithiophene
CAS Number:
3172-56-3
Molecular Formula:
C8H6S2
Molecular Weight:
166.2632
MDL Number:
MFCD00041214
SMILES:
c1scc(c1)c1cscc1
Properties
Properties
 
BP:
197.6°C at 760 mmHg  
Form:
Solid  
MP:
132-135 °C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
99.8  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2.9  

Upstream Synthesis Route

[1]Patent:US2006/155134,2006,A1,.Locationinpatent:Page/Pagecolumn3

[1]Patent:US2006/155134,2006,A1,.Locationinpatent:Page/Pagecolumn4

[2]Patent:US2006/155134,2006,A1,.Locationinpatent:Page/Pagecolumn4;5

[3]Patent:US2006/155134,2006,A1,.Locationinpatent:Page/Pagecolumn5

[4]Patent:US2006/155134,2006,A1,.Locationinpatent:Page/Pagecolumn5

[1]Patent:US2006/155134,2006,A1,.Locationinpatent:Page/Pagecolumn4

[2]Patent:US2006/155134,2006,A1,.Locationinpatent:Page/Pagecolumn5

[3]Patent:US2006/155134,2006,A1,.Locationinpatent:Page/Pagecolumn5

[4]Patent:US2006/155134,2006,A1,.Locationinpatent:Page/Pagecolumn4

[5]Patent:US2006/155134,2006,A1,.Locationinpatent:Page/Pagecolumn4

[6]Patent:US2006/155134,2006,A1,.Locationinpatent:Page/Pagecolumn4;5

[1]Patent:US2006/155134,2006,A1,.Locationinpatent:Page/Pagecolumn3

[1]Patent:US2006/155134,2006,A1,.Locationinpatent:Page/Pagecolumn5

[2]Patent:US2006/155134,2006,A1,.Locationinpatent:Page/Pagecolumn5

Downstream Synthesis Route

[1]JournaloftheInstituteofPetroleum,1951,vol.37,p.239

[1]JournalofOrganicChemistry,1959,vol.24,p.1421

[1]AngewandteChemie-InternationalEdition,2007,vol.46,p.5359-5363

[2]EuropeanJournalofInorganicChemistry,2014,p.818-823

[3]EuropeanJournalofInorganicChemistry,2014,vol.2014,p.818-823

[4]Tetrahedron,1994,vol.50,p.11893-11902

[5]JournalofChemicalResearch,2009,p.397-399

[1]TetrahedronLetters,1984,vol.25,p.83-86

[1]Heterocycles,1986,vol.24,p.2261-2264

Literature

Title: Thermochemistry of bithiophenes and thienyl radicals. A calorimetric and computational study.

Journal: The journal of physical chemistry. A 20091015

Title: Steric and electronic tuning of chiral bis(oxazoline) ligands with 3,3'-bithiophene backbone.

Journal: The Journal of organic chemistry 20050916

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

Title: Synthesis and properties of an aggregating heterocyclic helicene.

Journal: Journal of the American Chemical Society 20011205

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